#------------------------------------------------------------------------------
#$Date: 2021-03-26 12:12:48 +0200 (Fri, 26 Mar 2021) $
#$Revision: 263366 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/12/1561298.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1561298
loop_
_publ_author_name
'Zhou, Wanli'
'Zheng, Yanping'
'Peng, Jun'
_publ_section_title
;
 Cu-containing Keggin-type polyoxometalates-based organic-inorganic
 hybrids with double electro-catalytic behaviors
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              786
_journal_page_last               791
_journal_paper_doi               10.1016/j.jssc.2017.12.016
_journal_volume                  258
_journal_year                    2018
_chemical_formula_moiety         'C44 H36 Cu4 N20 O42 Si W12'
_chemical_formula_sum            'C44 H40 Cu4 N20 O42 Si W12'
_chemical_formula_weight         4009.41
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                110.157(5)
_cell_angle_beta                 107.563(5)
_cell_angle_gamma                102.181(5)
_cell_formula_units_Z            1
_cell_length_a                   10.987(5)
_cell_length_b                   13.845(5)
_cell_length_c                   14.621(5)
_cell_measurement_reflns_used    8702
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.24
_cell_measurement_theta_min      2.80
_cell_volume                     1863.2(13)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction,2006)'
_computing_data_reduction        CrysAlis
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15358
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.80
_exptl_absorpt_coefficient_mu    19.672
_exptl_absorpt_correction_T_max  0.003
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick, 1996'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1798
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.699
_refine_diff_density_min         -1.623
_refine_diff_density_rms         0.241
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         6553
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0287P)²+10.9511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                5228
_reflns_number_total             6553
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            mmc2.CIF
_cod_data_source_block           2
_cod_database_code               1561298
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.13612(6) 0.30159(4) 0.39249(4) 0.03459(15) Uani 1 1 d . . .
W2 W 0.15454(5) 0.52413(4) 0.32671(4) 0.03182(15) Uani 1 1 d . . .
W3 W -0.22136(6) 0.23102(4) 0.30885(4) 0.03720(16) Uani 1 1 d . . .
W4 W 0.35668(6) 0.56900(4) 0.58552(4) 0.03658(15) Uani 1 1 d . . .
W5 W -0.01554(6) 0.27818(4) 0.56804(4) 0.03643(15) Uani 1 1 d . . .
W6 W 0.20126(6) 0.54900(4) 0.76066(4) 0.03562(15) Uani 1 1 d . . .
Si1 Si 0.0000 0.5000 0.5000 0.0179(9) Uani 1 2 d S . .
Cu1 Cu 0.5513(2) 0.53492(13) 0.82394(14) 0.0540(5) Uani 1 1 d . . .
Cu2 Cu 0.2051(2) -0.44028(13) 0.05620(17) 0.0634(6) Uani 1 1 d . . .
O1W O 0.0735(18) 0.0202(12) 0.6787(14) 0.129(6) Uani 1 1 d . . .
O1 O 0.3315(13) 0.5467(8) 0.6994(9) 0.072(3) Uani 1 1 d U . .
O2 O 0.2261(10) 0.5362(7) 0.2428(7) 0.052(3) Uani 1 1 d . . .
O3 O -0.3258(10) 0.1034(7) 0.2185(7) 0.051(3) Uani 1 1 d . . .
O4 O 0.5260(10) 0.6008(8) 0.6296(8) 0.058(3) Uani 1 1 d . . .
O5 O -0.0223(12) 0.1755(8) 0.6035(9) 0.070(3) Uani 1 1 d . . .
O6 O 0.2969(10) 0.5672(7) 0.8836(7) 0.050(2) Uani 1 1 d . . .
O7 O 0.3122(12) 0.5809(7) 0.4544(7) 0.069(4) Uani 1 1 d . . .
O8 O 0.1316(10) 0.6607(8) 0.3726(9) 0.080(4) Uani 1 1 d . . .
O9 O 0.1188(14) 0.4782(11) 0.4606(11) 0.020(3) Uani 0.50 1 d P . .
O10 O -0.0310(10) 0.4586(7) 0.2301(9) 0.074(4) Uani 1 1 d . . .
O11 O 0.1450(13) 0.3797(7) 0.3111(8) 0.078(4) Uani 1 1 d . . .
O12 O 0.2009(12) 0.2077(8) 0.3426(8) 0.067(3) Uani 1 1 d . . .
O13 O 0.0998(12) 0.2628(11) 0.4956(9) 0.082(4) Uani 1 1 d U . .
O14 O 0.1313(10) 0.3936(7) 0.6888(9) 0.072(4) Uani 1 1 d . . .
O15 O -0.2320(13) 0.3036(8) 0.2199(9) 0.073(3) Uani 1 1 d U . .
O16 O 0.0029(15) 0.5371(11) 0.4104(11) 0.021(3) Uani 0.50 1 d P . .
O17 O -0.0122(15) 0.3716(10) 0.4598(10) 0.021(3) Uani 0.50 1 d PU . .
O18 O -0.1472(15) 0.4258(10) 0.3997(10) 0.019(3) Uani 0.50 1 d PU . .
O19 O 0.2931(13) 0.4146(7) 0.5066(8) 0.077(4) Uani 1 1 d . . .
O20 O -0.1660(11) 0.2109(11) 0.4348(8) 0.083(4) Uani 1 1 d . . .
O21 O -0.0507(11) 0.2284(11) 0.3044(8) 0.079(4) Uani 1 1 d . . .
O22 O -0.3461(13) 0.2885(9) 0.3517(9) 0.073(3) Uani 1 1 d U . .
C1 C 0.3811(16) 0.3064(11) 0.7567(12) 0.053(4) Uani 1 1 d . . .
H1 H 0.3533 0.3214 0.8127 0.064 Uiso 1 1 calc R . .
C2 C 0.3446(16) 0.2073(11) 0.6783(13) 0.055(4) Uani 1 1 d . . .
H2 H 0.2906 0.1414 0.6713 0.065 Uiso 1 1 calc R . .
C3 C 0.4758(14) 0.3286(9) 0.6503(11) 0.041(3) Uani 1 1 d . . .
H3 H 0.5252 0.3594 0.6194 0.049 Uiso 1 1 calc R . .
C4 C 0.3933(13) 0.1357(10) 0.5155(11) 0.039(3) Uani 1 1 d . . .
C5 C 0.3001(16) 0.0366(11) 0.4718(13) 0.057(4) Uani 1 1 d . . .
H5 H 0.2395 0.0230 0.5024 0.069 Uiso 1 1 calc R . .
C6 C 0.2912(16) -0.0435(10) 0.3856(12) 0.058(5) Uani 1 1 d . . .
H6 H 0.2230 -0.1119 0.3551 0.070 Uiso 1 1 calc R . .
C7 C 0.3778(14) -0.0272(9) 0.3428(11) 0.039(3) Uani 1 1 d . . .
C8 C 0.4771(19) 0.0714(10) 0.3814(14) 0.072(6) Uani 1 1 d . . .
H8 H 0.5359 0.0822 0.3486 0.086 Uiso 1 1 calc R . .
C9 C 0.4028(15) -0.1132(10) 0.1703(11) 0.044(4) Uani 1 1 d . . .
H9 H 0.4509 -0.0503 0.1688 0.053 Uiso 1 1 calc R . .
C10 C 0.3589(18) -0.2172(11) 0.0965(12) 0.057(4) Uani 1 1 d . . .
H10 H 0.3719 -0.2387 0.0336 0.068 Uiso 1 1 calc R . .
C11 C 0.2944(15) -0.2262(10) 0.2197(12) 0.048(4) Uani 1 1 d . . .
H11 H 0.2560 -0.2522 0.2590 0.058 Uiso 1 1 calc R . .
C12 C 0.6205(18) 0.7440(12) 0.9989(12) 0.058(4) Uani 1 1 d . . .
H12 H 0.5812 0.7126 1.0348 0.069 Uiso 1 1 calc R . .
C13 C 0.6969(14) 0.7609(10) 0.8842(10) 0.043(4) Uani 1 1 d . . .
H13 H 0.7217 0.7447 0.8267 0.052 Uiso 1 1 calc R . .
C14 C 0.6781(19) 0.8541(11) 1.0318(11) 0.061(5) Uani 1 1 d . . .
H14 H 0.6840 0.9106 1.0922 0.073 Uiso 1 1 calc R . .
C15 C 0.8145(16) 0.9601(10) 0.8715(10) 0.049(4) Uani 1 1 d . . .
H15 H 0.7748 0.8937 0.8103 0.059 Uiso 1 1 calc R . .
C16 C 0.8013(14) 0.9644(9) 0.9605(10) 0.039(3) Uani 1 1 d . . .
C17 C 0.8516(16) 1.0602(10) 1.0501(11) 0.051(4) Uani 1 1 d . . .
H17 H 0.8389 1.0628 1.1108 0.061 Uiso 1 1 calc R . .
C18 C 0.9231(16) 1.1550(10) 1.0478(11) 0.052(4) Uani 1 1 d . . .
H18 H 0.9603 1.2225 1.1076 0.063 Uiso 1 1 calc R . .
C19 C 0.9372(15) 1.1467(10) 0.9565(10) 0.041(3) Uani 1 1 d . . .
C20 C 1.0546(17) 1.3450(10) 1.0175(11) 0.052(4) Uani 1 1 d . . .
H20 H 1.0459 1.3708 1.0821 0.062 Uiso 1 1 calc R . .
C21 C 1.0381(18) 1.2328(11) 0.8618(12) 0.059(5) Uani 1 1 d . . .
H21 H 1.0192 1.1704 0.8009 0.071 Uiso 1 1 calc R . .
C22 C 1.1023(18) 1.3392(11) 0.8856(12) 0.059(5) Uani 1 1 d . . .
H22 H 1.1338 1.3618 0.8413 0.071 Uiso 1 1 calc R . .
N1 N 0.4674(11) 0.3849(8) 0.7427(9) 0.042(3) Uani 1 1 d . . .
N2 N 0.4015(11) 0.2199(8) 0.6091(9) 0.041(3) Uani 1 1 d . . .
N3 N 0.4869(18) 0.1561(11) 0.4728(13) 0.092(6) Uani 1 1 d . . .
N4 N 0.3612(12) -0.1193(7) 0.2499(8) 0.038(3) Uani 1 1 d . . .
N5 N 0.2910(13) -0.2884(9) 0.1272(10) 0.052(3) Uani 1 1 d . . .
N6 N 0.6290(13) 0.6868(8) 0.9057(9) 0.046(3) Uani 1 1 d . . .
N7 N 0.7254(12) 0.8646(8) 0.9585(8) 0.041(3) Uani 1 1 d . . .
N8 N 0.8849(14) 1.0512(9) 0.8695(9) 0.058(4) Uani 1 1 d . . .
N9 N 1.0068(12) 1.2373(8) 0.9474(8) 0.038(3) Uani 1 1 d . . .
N10 N 1.1144(14) 1.4080(8) 0.9829(9) 0.050(3) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O12 W1 O11 100.9(5) . .
O12 W1 O21 101.4(6) . .
O11 W1 O21 88.5(5) . .
O12 W1 O19 101.5(6) . .
O11 W1 O19 89.4(4) . .
O21 W1 O19 157.0(6) . .
O12 W1 O13 100.7(5) . .
O11 W1 O13 158.4(6) . .
O21 W1 O13 87.3(5) . .
O19 W1 O13 86.4(5) . .
O12 W1 O17 157.2(5) . .
O11 W1 O17 96.7(5) . .
O21 W1 O17 64.3(5) . .
O19 W1 O17 93.2(5) . .
O13 W1 O17 62.5(5) . .
O12 W1 O9 157.4(5) . .
O11 W1 O9 63.7(5) . .
O21 W1 O9 94.8(5) . .
O19 W1 O9 63.9(5) . .
O13 W1 O9 95.6(5) . .
O17 W1 O9 45.4(5) . .
O2 W2 O8 99.2(5) . .
O2 W2 O7 100.3(5) . .
O8 W2 O7 89.2(5) . .
O2 W2 O10 99.4(5) . .
O8 W2 O10 89.2(4) . .
O7 W2 O10 160.2(5) . .
O2 W2 O11 101.1(5) . .
O8 W2 O11 159.6(6) . .
O7 W2 O11 88.5(4) . .
O10 W2 O11 86.1(5) . .
O2 W2 O16 158.0(5) . .
O8 W2 O16 65.2(5) . .
O7 W2 O16 95.1(5) . .
O10 W2 O16 66.4(5) . .
O11 W2 O16 94.9(5) . .
O2 W2 O9 158.1(5) . .
O8 W2 O9 97.3(5) . .
O7 W2 O9 65.6(5) . .
O10 W2 O9 95.1(5) . .
O11 W2 O9 63.4(5) . .
O16 W2 O9 43.9(5) . .
O3 W3 O22 100.3(5) . .
O3 W3 O15 100.1(5) . .
O22 W3 O15 88.7(4) . .
O3 W3 O20 101.0(5) . .
O22 W3 O20 88.1(5) . .
O15 W3 O20 158.9(5) . .
O3 W3 O21 101.6(5) . .
O22 W3 O21 158.0(5) . .
O15 W3 O21 87.3(5) . .
O20 W3 O21 87.9(5) . .
O3 W3 O18 157.4(5) . .
O22 W3 O18 64.1(5) . .
O15 W3 O18 65.0(5) . .
O20 W3 O18 94.9(5) . .
O21 W3 O18 94.8(5) . .
O3 W3 O17 155.9(5) . .
O22 W3 O17 97.3(5) . .
O15 W3 O17 96.6(5) . .
O20 W3 O17 63.2(5) . .
O21 W3 O17 61.8(5) . .
O18 W3 O17 46.7(5) . .
O4 W4 O1 99.0(5) . .
O4 W4 O19 101.8(5) . .
O1 W4 O19 88.1(4) . .
O4 W4 O7 102.1(5) . .
O1 W4 O7 158.9(6) . .
O19 W4 O7 88.7(4) . .
O4 W4 O22 100.6(5) . 2_566
O1 W4 O22 87.5(4) . 2_566
O19 W4 O22 157.6(6) . 2_566
O7 W4 O22 87.6(4) . 2_566
O4 W4 O18 155.7(5) . 2_566
O1 W4 O18 63.8(5) . 2_566
O19 W4 O18 95.0(5) . 2_566
O7 W4 O18 95.7(5) . 2_566
O22 W4 O18 63.4(5) 2_566 2_566
O4 W4 O9 157.8(5) . .
O1 W4 O9 96.1(5) . .
O19 W4 O9 62.5(5) . .
O7 W4 O9 64.0(5) . .
O22 W4 O9 96.1(5) 2_566 .
O18 W4 O9 46.4(4) 2_566 .
O5 W5 O14 101.1(6) . .
O5 W5 O13 102.3(6) . .
O14 W5 O13 89.5(5) . .
O5 W5 O20 101.9(6) . .
O14 W5 O20 156.8(6) . .
O13 W5 O20 88.8(5) . .
O5 W5 O8 99.6(6) . 2_566
O14 W5 O8 86.3(4) . 2_566
O13 W5 O8 158.2(6) . 2_566
O20 W5 O8 86.8(5) . 2_566
O5 W5 O17 158.7(5) . .
O14 W5 O17 93.7(5) . .
O13 W5 O17 62.2(5) . .
O20 W5 O17 65.2(5) . .
O8 W5 O17 96.6(5) 2_566 .
O5 W5 O16 156.3(5) . 2_566
O14 W5 O16 64.1(5) . 2_566
O13 W5 O16 96.3(5) . 2_566
O20 W5 O16 93.1(5) . 2_566
O8 W5 O16 62.7(5) 2_566 2_566
O17 W5 O16 45.0(4) . 2_566
O6 W6 O14 99.9(5) . .
O6 W6 O15 101.8(5) . 2_566
O14 W6 O15 158.3(5) . 2_566
O6 W6 O10 100.8(5) . 2_566
O14 W6 O10 87.5(4) . 2_566
O15 W6 O10 88.9(5) 2_566 2_566
O6 W6 O1 100.4(5) . .
O14 W6 O1 88.0(5) . .
O15 W6 O1 87.6(4) 2_566 .
O10 W6 O1 158.7(6) 2_566 .
O6 W6 O18 157.6(5) . 2_566
O14 W6 O18 94.9(5) . 2_566
O15 W6 O18 64.3(4) 2_566 2_566
O10 W6 O18 96.5(5) 2_566 2_566
O1 W6 O18 63.2(5) . 2_566
O6 W6 O16 155.8(4) . 2_566
O14 W6 O16 63.0(5) . 2_566
O15 W6 O16 96.4(5) 2_566 2_566
O10 W6 O16 63.4(5) 2_566 2_566
O1 W6 O16 96.2(5) . 2_566
O18 W6 O16 46.5(4) 2_566 2_566
O16 Si1 O16 180.000(6) . 2_566
O16 Si1 O9 67.1(7) . .
O16 Si1 O9 112.9(7) 2_566 .
O16 Si1 O9 112.9(7) . 2_566
O16 Si1 O9 67.1(7) 2_566 2_566
O9 Si1 O9 180.000(4) . 2_566
O16 Si1 O17 109.8(7) . .
O16 Si1 O17 70.2(7) 2_566 .
O9 Si1 O17 68.3(7) . .
O9 Si1 O17 111.7(7) 2_566 .
O16 Si1 O17 70.2(7) . 2_566
O16 Si1 O17 109.8(7) 2_566 2_566
O9 Si1 O17 111.7(7) . 2_566
O9 Si1 O17 68.3(7) 2_566 2_566
O17 Si1 O17 180.000(4) . 2_566
O16 Si1 O18 74.3(7) . .
O16 Si1 O18 105.7(7) 2_566 .
O9 Si1 O18 108.5(7) . .
O9 Si1 O18 71.5(7) 2_566 .
O17 Si1 O18 72.0(7) . .
O17 Si1 O18 108.0(7) 2_566 .
O16 Si1 O18 105.7(7) . 2_566
O16 Si1 O18 74.3(7) 2_566 2_566
O9 Si1 O18 71.5(7) . 2_566
O9 Si1 O18 108.5(7) 2_566 2_566
O17 Si1 O18 108.0(7) . 2_566
O17 Si1 O18 72.0(7) 2_566 2_566
O18 Si1 O18 180.000(2) . 2_566
N1 Cu1 N6 177.6(5) . .
N5 Cu2 N10 178.3(6) . 1_434
W4 O1 W6 137.9(7) . .
W2 O7 W4 135.9(6) . .
W2 O8 W5 136.5(7) . 2_566
Si1 O9 O16 55.1(6) . .
Si1 O9 W2 122.5(8) . .
O16 O9 W2 67.4(6) . .
Si1 O9 W1 122.7(7) . .
O16 O9 W1 133.3(8) . .
W2 O9 W1 95.7(5) . .
Si1 O9 W4 120.1(7) . .
O16 O9 W4 128.6(8) . .
W2 O9 W4 94.3(5) . .
W1 O9 W4 94.4(5) . .
W2 O10 W6 136.2(6) . 2_566
W1 O11 W2 136.7(7) . .
W5 O13 W1 138.4(8) . .
W5 O14 W6 140.4(7) . .
W3 O15 W6 135.9(6) . 2_566
Si1 O16 O9 57.8(6) . .
Si1 O16 W2 126.5(8) . .
O9 O16 W2 68.7(6) . .
Si1 O16 W5 122.0(7) . 2_566
O9 O16 W5 135.3(9) . 2_566
W2 O16 W5 95.2(5) . 2_566
Si1 O16 W6 119.0(7) . 2_566
O9 O16 W6 128.6(8) . 2_566
W2 O16 W6 93.5(5) . 2_566
W5 O16 W6 92.4(5) 2_566 2_566
Si1 O17 W1 123.5(7) . .
Si1 O17 W5 122.8(7) . .
W1 O17 W5 96.4(5) . .
Si1 O17 W3 118.4(8) . .
W1 O17 W3 94.8(4) . .
W5 O17 W3 93.8(5) . .
Si1 O18 W3 122.8(8) . .
Si1 O18 W4 121.9(7) . 2_566
W3 O18 W4 95.5(5) . 2_566
Si1 O18 W6 120.2(6) . 2_566
W3 O18 W6 94.5(5) . 2_566
W4 O18 W6 94.9(5) 2_566 2_566
W1 O19 W4 138.6(7) . .
W5 O20 W3 137.5(6) . .
W1 O21 W3 138.9(6) . .
W3 O22 W4 136.7(6) . 2_566
C2 C1 N1 109.9(12) . .
C1 C2 N2 107.5(12) . .
N1 C3 N2 110.0(11) . .
C5 C4 N3 119.9(13) . .
C5 C4 N2 120.1(13) . .
N3 C4 N2 119.9(11) . .
C4 C5 C6 121.4(13) . .
C7 C6 C5 120.4(12) . .
C6 C7 C8 122.7(13) . .
C6 C7 N4 116.5(11) . .
C8 C7 N4 120.7(12) . .
C7 C8 N3 116.9(14) . .
C10 C9 N4 105.3(11) . .
C9 C10 N5 110.4(12) . .
N5 C11 N4 110.9(12) . .
N6 C12 C14 109.9(12) . .
N6 C13 N7 110.3(11) . .
N7 C14 C12 106.2(11) . .
C16 C15 N8 120.6(11) . .
C15 C16 C17 121.8(12) . .
C15 C16 N7 118.4(11) . .
C17 C16 N7 119.7(11) . .
C16 C17 C18 117.6(12) . .
C19 C18 C17 118.7(12) . .
N8 C19 C18 121.9(12) . .
N8 C19 N9 115.7(11) . .
C18 C19 N9 122.4(11) . .
N10 C20 N9 111.6(11) . .
C22 C21 N9 105.2(12) . .
N10 C22 C21 110.8(12) . .
C3 N1 C1 105.2(10) . .
C3 N1 Cu1 124.2(8) . .
C1 N1 Cu1 130.6(9) . .
C3 N2 C2 107.3(11) . .
C3 N2 C4 125.2(11) . .
C2 N2 C4 127.3(11) . .
C4 N3 C8 118.6(13) . .
C11 N4 C9 107.6(11) . .
C11 N4 C7 126.6(11) . .
C9 N4 C7 125.7(10) . .
C11 N5 C10 105.8(11) . .
C11 N5 Cu2 124.4(10) . .
C10 N5 Cu2 129.7(10) . .
C13 N6 C12 106.2(10) . .
C13 N6 Cu1 128.0(9) . .
C12 N6 Cu1 125.7(9) . .
C14 N7 C13 107.3(11) . .
C14 N7 C16 127.7(10) . .
C13 N7 C16 124.8(10) . .
C19 N8 C15 119.2(11) . .
C20 N9 C21 106.7(11) . .
C20 N9 C19 128.0(10) . .
C21 N9 C19 125.3(10) . .
C20 N10 C22 105.7(11) . .
C20 N10 Cu2 126.6(9) . 1_676
C22 N10 Cu2 127.6(9) . 1_676
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O12 1.666(9) .
W1 O11 1.872(9) .
W1 O21 1.878(11) .
W1 O19 1.879(10) .
W1 O13 1.884(10) .
W1 O17 2.354(14) .
W1 O9 2.375(13) .
W2 O2 1.679(8) .
W2 O8 1.875(10) .
W2 O7 1.888(10) .
W2 O10 1.890(10) .
W2 O11 1.909(9) .
W2 O16 2.347(13) .
W2 O9 2.367(13) .
W3 O3 1.675(8) .
W3 O22 1.881(10) .
W3 O15 1.890(10) .
W3 O20 1.894(10) .
W3 O21 1.904(11) .
W3 O18 2.377(12) .
W3 O17 2.456(14) .
W4 O4 1.675(10) .
W4 O1 1.882(9) .
W4 O19 1.890(9) .
W4 O7 1.905(9) .
W4 O22 1.913(10) 2_566
W4 O18 2.389(15) 2_566
W4 O9 2.429(14) .
W5 O5 1.668(9) .
W5 O14 1.877(10) .
W5 O13 1.882(10) .
W5 O20 1.885(11) .
W5 O8 1.927(11) 2_566
W5 O17 2.367(13) .
W5 O16 2.435(13) 2_566
W6 O6 1.684(9) .
W6 O14 1.892(9) .
W6 O15 1.900(10) 2_566
W6 O10 1.900(10) 2_566
W6 O1 1.904(9) .
W6 O18 2.405(14) 2_566
W6 O16 2.478(15) 2_566
Si1 O16 1.570(13) .
Si1 O16 1.570(13) 2_566
Si1 O9 1.621(14) .
Si1 O9 1.621(14) 2_566
Si1 O17 1.630(13) .
Si1 O17 1.630(13) 2_566
Si1 O18 1.628(14) .
Si1 O18 1.628(14) 2_566
Cu1 N1 1.845(10) .
Cu1 N6 1.864(10) .
Cu2 N5 1.859(11) .
Cu2 N10 1.864(10) 1_434
O8 W5 1.927(11) 2_566
O9 O16 1.76(2) .
O10 W6 1.900(10) 2_566
O15 W6 1.900(9) 2_566
O16 W5 2.435(13) 2_566
O16 W6 2.478(15) 2_566
O18 W4 2.389(15) 2_566
O18 W6 2.405(14) 2_566
O22 W4 1.913(10) 2_566
C1 C2 1.329(19) .
C1 N1 1.400(16) .
C2 N2 1.379(16) .
C3 N1 1.349(16) .
C3 N2 1.362(14) .
C4 C5 1.321(17) .
C4 N3 1.384(19) .
C4 N2 1.422(16) .
C5 C6 1.322(18) .
C6 C7 1.309(18) .
C7 C8 1.358(17) .
C7 N4 1.436(15) .
C8 N3 1.396(19) .
C9 C10 1.338(18) .
C9 N4 1.394(16) .
C10 N5 1.388(16) .
C11 N5 1.313(17) .
C11 N4 1.348(15) .
C12 N6 1.363(16) .
C12 C14 1.363(18) .
C13 N6 1.322(16) .
C13 N7 1.367(15) .
C14 N7 1.361(16) .
C15 C16 1.335(17) .
C15 N8 1.347(16) .
C16 C17 1.355(16) .
C16 N7 1.441(15) .
C17 C18 1.396(18) .
C18 C19 1.359(17) .
C19 N8 1.332(15) .
C19 N9 1.395(16) .
C20 N10 1.308(16) .
C20 N9 1.357(15) .
C21 C22 1.359(18) .
C21 N9 1.380(16) .
C22 N10 1.360(16) .
N10 Cu2 1.864(10) 1_676
